VMD-L Mailing List

From: Sonibare, Kolawole (kasonibare42_at_students.tntech.edu)
Date: Mon Apr 23 2018 - 10:58:56 CDT

Dear VMD users,

I have a system of heterogenous molecules. I have calculated the Centre of mass coordinates for each molecules using LAMMPS and I have an output file.

I intend to calculate the diffusion coefficient between similar molecules in the mixture. How can I do this please?

Thank you.